Structure of PDB 3i3o Chain B

Receptor sequence

>3i3oB (length=283) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor')

NFVTMPAQHQNKQPGIESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSG
IGRAVSIAFAKEGANIAIAYLDEEGDANETKQYVEKEGVKCVLLPGDLSD
EQHCKDIVQETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINI
FSYFHVTKAALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTR
SLSQSLVQKGIRVNGVAPGPIWTPLIPSSFDEKKVSQFGSNVPMQRPGQP
YELAPAYVYLASSDSSYVTGQMIHVNGGVIVNG

3D structure

• PDB: 3i3o 2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD-acetone
• Chain: B
• Resolution: 2.06 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G55 S180 L190 Y193 K197 K238
• Catalytic site (residue number reindexed from 1): G50 S175 L185 Y188 K192 K233

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	B	D53 S54 E78	D48 S49 E73
BS02	NAE	B	D53 S54 G55 I56 Y75 L76 E78 G101 D102 L103 N129 V130 A131 Q132 Q133 I153 T178 S180 Y193 K197 P223 G224 I226 T228 L230	D48 S49 G50 I51 Y70 L71 E73 G96 D97 L98 N124 V125 A126 Q127 Q128 I148 T173 S175 Y188 K192 P218 G219 I221 T223 L225

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3i3o, PDBe:3i3o, PDBj:3i3o
• PDBsum: 3i3o
• UniProt: A0A6L8PL20